| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg | |||
| Other Sizes |
| Targets |
DUBs-IN-2 targets ubiquitin-specific protease 8 (USP8) with an IC50 of 280 nM (0.28 μM). It is selective for USP8 over USP7, with an IC50 of >100 μM for USP7. By inhibiting USP8, it increases the level of programmed cell death protein ligand 1 (PD-L1) in cancer cells.
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|---|---|
| ln Vitro |
DUBs-IN-2 (compound 22 e) has an IC50 of 0.28 μM, making it a strong inhibitor of USP8, but USP7 remains unaffected at >100 μM. With an IC50 value of 0.5-1.5μM, DUBs-IN-2 decreases the viability of the PC-3 prostate cancer cell line and the HCT116 colon cell line[1].
In vitro, DUBs-IN-2 inhibits USP8 with an IC50 of 0.28 μM and shows no effect on USP7 (IC50 >100 μM). It inhibits the viability of HCT116 colon cancer cells and PC-3 prostate cancer cells with IC50 values of 0.5-1.5 μM. It increases PD-L1 levels in H460 cells at 2 μM and in PC-9 cells at 2 and 4 μM. |
| ln Vivo |
In vivo, intraperitoneal injection of DUBs-IN-2 (1 mg/kg every other day), in combination with an anti-PD-L1 antibody and paclitaxel, decreases tumor weight, tumor size, and lung metastasis and increases CD8+ T cell numbers within the primary tumor in a 4T1 murine mammary carcinoma model.
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| Enzyme Assay |
DUBs-IN-2 is soluble in DMSO at 5 mg/mL and in DMF at 5 mg/mL. It is insoluble in water and ethanol. For in vivo studies, it can be formulated as a homogeneous suspension in CMC-Na at ≥5 mg/mL. Powder is stable for up to 3 years at -20°C.
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| Cell Assay |
In vitro cell-based assays for DUBs-IN-2 utilize cancer cell lines such as HCT116, PC-3, H460, and PC-9. Cells are treated with the compound, and cell viability is assessed by MTT or CellTiter-Glo assays. PD-L1 levels are measured by flow cytometry or Western blotting.
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| Animal Protocol |
In vivo animal experiments for DUBs-IN-2 are performed in the 4T1 murine mammary carcinoma model. The compound is administered intraperitoneally at 1 mg/kg every other day, in combination with an anti-PD-L1 antibody and paclitaxel. Endpoints include tumor weight, tumor size, lung metastasis, and CD8+ T cell infiltration.
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| ADME/Pharmacokinetics |
DUBs-IN-2 has a molecular weight of 275.26 g/mol and is soluble in DMSO (5 mg/mL) and DMF (5 mg/mL). It is insoluble in water and ethanol. It is typically stored as a powder at -20°C.
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| Toxicity/Toxicokinetics |
Toxicological data for DUBs-IN-2 are limited, as it is a research compound. In preclinical studies, it is administered at 1 mg/kg every other day. It is not intended for human use. Standard safety precautions should be followed.
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| References | |
| Additional Infomation |
DUBs-IN-2 is an EC 3.4.19.* (ω-peptidase) inhibitor.
DUBs-IN-2 is a research compound with no clinical approval. It is a valuable tool for studying USP8 biology and the role of deubiquitination in cancer and immune regulation. It is used in drug discovery programs to explore the therapeutic potential of USP8 inhibitors in combination with immunotherapies. |
| Molecular Formula |
C15H9N5O
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|---|---|
| Molecular Weight |
275.2649
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| Exact Mass |
275.081
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| CAS # |
924296-19-5
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| Related CAS # |
DUB-IN-3;924296-17-3
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| PubChem CID |
57831016
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| Appearance |
Light yellow to yellow solid powder
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| Density |
1.36±0.1 g/cm3 (20 °C, 760 mmHg)
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| Boiling Point |
555.7±60.0 °C (760 mmHg)
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| LogP |
1.989
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
21
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| Complexity |
527
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCO/N=C\1/C2=CC=CC=C2C3=NC(=C(N=C31)C#N)C#N
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| InChi Key |
VKVAJBRQGBRHIK-ZHZULCJRSA-N
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| InChi Code |
InChI=1S/C15H9N5O/c1-2-21-20-14-10-6-4-3-5-9(10)13-15(14)19-12(8-17)11(7-16)18-13/h3-6H,2H2,1H3/b20-14-
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| Chemical Name |
(9Z)-9-ethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~16.67 mg/mL (~60.56 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 1 mg/mL (3.63 mM) in 10% DMSO + 40% PEG300 +5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 10.0 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 + to the above solution and mix evenly; then add 450 μL of normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: 1.5 mg/mL (5.45 mM) in 50% PEG300 50% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.6329 mL | 18.1646 mL | 36.3293 mL | |
| 5 mM | 0.7266 mL | 3.6329 mL | 7.2659 mL | |
| 10 mM | 0.3633 mL | 1.8165 mL | 3.6329 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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